Found 4 results

Search term: YEMXDMCTTAKDIF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-2-[(1S)-1-Hydroxyethyl]-2-methyl-2,3-dihydro-4(1H)-quinazolinone | C11H14N2O2

(2S)-2-[(1S)-1-Hydroxyethyl]-2-methyl-2,3-dihydro-4(1H)-quinazolinone

  • Molecular FormulaC11H14N2O2
  • Average mass206.241 Da
  • Monoisotopic mass206.105530 Da
  • ChemSpider ID78437003

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-[(1S)-1-Hydroxyethyl]-2-methyl-2,3-dihydro-4(1H)-chinazolinon [German] [ACD/IUPAC Name]
(2S)-2-[(1S)-1-Hydroxyethyl]-2-methyl-2,3-dihydro-4(1H)-quinazolinone [ACD/IUPAC Name]
(2S)-2-[(1S)-1-Hydroxyéthyl]-2-méthyl-2,3-dihydro-4(1H)-quinazolinone [French] [ACD/IUPAC Name]
4(1H)-Quinazolinone, 2,3-dihydro-2-[(1S)-1-hydroxyethyl]-2-methyl-, (2S)- [ACD/Index Name]
(R*R*)-2-(1-hydroxyethyl)-2-methyl-2,3-dihydro-1H-quinazolin-4-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 468.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 237.1±25.7 °C
Index of Refraction: 1.548
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.43
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 52.18
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 52.18
Polar Surface Area: 61 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 176.4±3.0 cm3

Click to predict properties on the Chemicalize site


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